SCHEMBL1005733

SCHEMBL1005733

CC(C)(C)OC(=O)CN=C1c2ccccc2-c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.44
LMNA P02545 3/20 0.43
HPGD P15428 3/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
MALT1 Q9UDY8 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ADRB1 P08588 3/20 0.36
RAD52 P43351 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 2/20 0.36
PTPN1 P18031 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1005337 0.81 LMNA (0.47) PTPRCLMNAHPGDMAPTHTT
SCHEMBL12952488 0.78 PTPRC (0.32) PTPRCLMNAHPGDMAPTHTT
SCHEMBL15334547 0.74 KMT2A (0.43) LMNAHPGDMAPTHTTALDH1A1
SCHEMBL240725 0.73 AAK1 (0.48) PTPRCMAPTMTNR1AMTNR1BALDH1A1
SCHEMBL16473372 0.72 KMT2A (0.44) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL548010 0.69 MTNR1A (0.43) PTPRCLMNAHPGDMAPTHTT
SCHEMBL6117607 0.69 MAPT (0.41) LMNAMAPTMTNR1AMTNR1BMEN1
SCHEMBL6117605 0.69 MAPT (0.41) LMNAMAPTMTNR1AMTNR1BMEN1
SCHEMBL6118230 0.69 MAPT (0.41) LMNAMAPTMTNR1AMTNR1BMEN1
SCHEMBL10555389 0.68 LMNA (0.45) PTPRCLMNAHPGDMAPTHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987495-B2 Diamino acid derivative starting material, manufacturing method thereof, and diamino acid derivative manufacturing method JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-03-24 US disclosed
US-8987495-B2 Diamino acid derivative starting material, manufacturing method thereof, and diamino acid derivative manufacturing method JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-03-24 US disclosed
US-8987495-B2 Diamino acid derivative starting material, manufacturing method thereof, and diamino acid derivative manufacturing method JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-03-24 US disclosed
US-20140288323-A1 CYCLOPROPENIMINE CATALYST COMPOSITIONS AND PROCESSES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-09-25 US disclosed
EP-2269979-B1 DIAMINO ACID DERIVATIVE STARTING MATERIAL, MANUFACTURING METHOD THEREOF, AND DIAMINO ACID DERIVATIVE MANUFACTURING METHOD JAPAN SCIENCE & TECH AGENCY (JP) 2014-04-16 EP disclosed
EP-2269979-B1 DIAMINO ACID DERIVATIVE STARTING MATERIAL, MANUFACTURING METHOD THEREOF, AND DIAMINO ACID DERIVATIVE MANUFACTURING METHOD JAPAN SCIENCE & TECH AGENCY (JP) 2014-04-16 EP disclosed
US-20140012016-A1 DIAMINO ACID DERIVATIVE STARTING MATERIAL, MANUFACTURING METHOD THEREOF, AND DIAMINO ACID DERIVATIVE MANUFACTURING METHOD JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-01-09 US disclosed
US-20140012016-A1 DIAMINO ACID DERIVATIVE STARTING MATERIAL, MANUFACTURING METHOD THEREOF, AND DIAMINO ACID DERIVATIVE MANUFACTURING METHOD JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-01-09 US disclosed
US-20140012016-A1 DIAMINO ACID DERIVATIVE STARTING MATERIAL, MANUFACTURING METHOD THEREOF, AND DIAMINO ACID DERIVATIVE MANUFACTURING METHOD JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-01-09 US disclosed
US-8563765-B2 Diamino acid derivative starting material, manufacturing method thereof, and diamino acid derivative manufacturing method JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2013-10-22 US disclosed
US-8563765-B2 Diamino acid derivative starting material, manufacturing method thereof, and diamino acid derivative manufacturing method JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2013-10-22 US disclosed
US-8563765-B2 Diamino acid derivative starting material, manufacturing method thereof, and diamino acid derivative manufacturing method JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2013-10-22 US disclosed
US-20110071310-A1 DIAMINO ACID DERIVATIVE STARTING MATERIAL, MANUFACTURING METHOD THEREOF, AND DIAMINO ACID DERIVATIVE MANUFACTURING METHOD JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-03-24 US disclosed
US-20110071310-A1 DIAMINO ACID DERIVATIVE STARTING MATERIAL, MANUFACTURING METHOD THEREOF, AND DIAMINO ACID DERIVATIVE MANUFACTURING METHOD JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-03-24 US disclosed
US-20110071310-A1 DIAMINO ACID DERIVATIVE STARTING MATERIAL, MANUFACTURING METHOD THEREOF, AND DIAMINO ACID DERIVATIVE MANUFACTURING METHOD JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-03-24 US disclosed
EP-2269979-A1 DIAMINO ACID DERIVATIVE STARTING MATERIAL, MANUFACTURING METHOD THEREOF, AND DIAMINO ACID DERIVATIVE MANUFACTURING METHOD Japan Science and Technology Agency (JP) 2011-01-05 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140012016-A1 DIAMINO ACID DERIVATIVE STARTING MATERIAL, MANUFACTURING METHOD THEREOF, AND DIAMINO ACID DERIVATIVE MANUFACTURING METHOD DAO, DDC, DCTD PTPRC 4859/4885LMNA 2459/4885HPGD 878/4885
US-20140288323-A1 CYCLOPROPENIMINE CATALYST COMPOSITIONS AND PROCESSES PPIA, PPIF, PPIH PTPRC 4299/4885LMNA 3201/4885HPGD 666/4885
US-20110071310-A1 DIAMINO ACID DERIVATIVE STARTING MATERIAL, MANUFACTURING METHOD THEREOF, AND DIAMINO ACID DERIVATIVE MANUFACTURING METHOD DAO, DDC, DCTD PTPRC 4859/4885LMNA 2459/4885HPGD 878/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.